SCHEMBL4332938

SCHEMBL4332938

NC(=S)N(Cc1ccco1)N=C[C@@H]1CCCN1Cc1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 4/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CCR2 P41597 1/20 0.33
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4322304 0.97 POLB (0.36) POLBLMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL4329483 0.87 ALDH1A1 (0.38) LMNASMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL4337957 0.85 ALDH1A1 (0.36) POLBSMN1; SMN2KMT2AMEN1TP53
SCHEMBL4325058 0.82 GAA (0.37) GAAALDH1A1CCR2SPHK2SPHK1
SCHEMBL4332168 0.81 ALDH1A1 (0.42) POLBSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL4331963 0.76 PSEN1 (0.36) POLBSMN1; SMN2KMT2ATP53ALDH1A1
SCHEMBL4332941 0.76 MAPT (0.57) POLBLMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL4332935 0.76 MAPT (0.57) POLBLMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL4338696 0.75 ALDH1A1 (0.40) GAAALDH1A1CCR2SPHK2SPHK1
SCHEMBL4331350 0.74 ALDH1A1 (0.33) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 US disclosed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US disclosed
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-03-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 POLB 3179/4885LMNA 4884/4885SMN1; SMN2 4740/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 POLB 3934/4885LMNA 4885/4885SMN1; SMN2 4815/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.